SCHEMBL8944652

SCHEMBL8944652

O=C(NCC1CC1)OCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 1/20 0.53
NAAA Q02083 2/20 0.50
CASP1 P29466 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LTA4H P09960 1/20 0.47
CTSK P43235 1/20 0.46
CHRNA7 P36544 1/20 0.46
FKBP1A P62942 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27493272 0.96 NAAA (0.55) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8394496 0.94 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8396686 0.94 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8392063 0.93 NPC1 (0.55) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8395708 0.93 NPC1 (0.55) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8396273 0.91 GRIN2B (0.50) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8393228 0.86 HRH4 (0.58) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8944752 0.86 EPHX2 (0.51) SMN1; SMN2NPC1RECQLRAB9AALDH1A1
SCHEMBL8392576 0.86 GRIN2B (0.48) SMN1; SMN2NPC1RECQLRAB9AALDH1A1
SCHEMBL8397655 0.85 RAB9A (0.55) SMN1; SMN2NPC1RECQLRAB9ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed